methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate

C24H31N3O5Si — CID 25140811

IUPACmethyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1OC
InChIInChI=1S/C24H31N3O5Si/c1-24(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(26-27-25)21(29-4)22(32-19)23(28)30-5/h6-15,19-22H,16H2,1-5H3/t19-,20-,21-,22+/m1/s1
InChIKeyPLUQFIIJBSKYIJ-YSFYHYPLSA-N
MW469.61 g/mol
LogP3.20
Rot. Bonds8

About methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate

methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate (PubChem CID 25140811) has the molecular formula C24H31N3O5Si and a molecular weight of 469.61 g/mol. Its IUPAC name is methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate
PubChem CID25140811
Molecular FormulaC24H31N3O5Si
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Namemethyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1OC
InChIInChI=1S/C24H31N3O5Si/c1-24(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(26-27-25)21(29-4)22(32-19)23(28)30-5/h6-15,19-22H,16H2,1-5H3/t19-,20-,21-,22+/m1/s1
InChIKeyPLUQFIIJBSKYIJ-YSFYHYPLSA-N
XLogP3.20
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-azido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 134831448
[(2S)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
CID 91059800
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
CID 146031834
[(2R,3R,4S,5R)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-yl] acetate
CID 176302160
(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one
CID 10575162
(3R,4S,5R)-5-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4-dihydroxyoxolan-2-one
CID 10646819
methyl (4S,5R)-5-[(1S,2R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10697128
(4S,5R,6R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 10717289
(3S,4S,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxyoxolan-2-one
CID 10765615
tert-butyl (3S,4R,5R)-4-azido-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxyhexanoate
CID 10767679
(2S,3R,4R,5S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 10816614
(3aS,6R,6aS)-6-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 11123689

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
The IUPAC name of methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate (CID 25140811) is methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate is COC(=O)[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1OC.
What is the InChIKey of methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
The InChIKey is PLUQFIIJBSKYIJ-YSFYHYPLSA-N. The full InChI is InChI=1S/C24H31N3O5Si/c1-24(2,3)33(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(26-27-25)21(29-4)22(32-19)23(28)30-5/h6-15,19-22H,16H2,1-5H3/t19-,20-,21-,22+/m1/s1.
What are the key properties of methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate?
methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate has a molecular weight of 469.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4R,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 25140811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).